Add missing data directory

Author: amorehead

data/moad/moad_binding_affinity_data/binding_affinity_values.txt

@@ -0,0 +1,189 @@
+2wr8_1_SAH_1
+3zqu_1_FNR_5
+3o7j_1_2AL_0
+2wwc_1_CHT_2
+5enp_1_5QF_0
+6fgc_1_ADP_1
+1uf7_1_CDV_0
+2r4e_1_13P_0
+5hw0_1_GLU_2
+4kgx_1_CTP_5
+4zaw_1_4LU_1
+4phr_1_UDP_0
+2v5e_1_GU4 YYJ_0
+4gk9_1_BMA MAN MAN MAN MAN_3
+6wyz_1_DGL_1
+6ep5_1_ADP_1
+4rpj_1_UDP_0
+5mh1_1_BMA_0
+3q14_1_PCR_3
+6rz2_1_5CD_2
+5hmr_1_FDZ_0
+2q6k_1_ADN_1
+6o6y_1_ACK_0
+5fxe_1_CIY_1
+4zay_1_4LS_6
+2wao_1_BGC BGC BGC BGC BGC_0
+3gf4_1_U5P_0
+4o95_1_245_0
+6xug_1_O1Q_0
+4mo2_2_FDA_0
+1pj4_1_FUM_1
+6b1b_1_TMO_15
+6o70_1_ACK_1
+3wvc_1_FEG_0
+4cdn_2_FAD_0
+5fxd_1_H7Y_1
+2gf3_2_FOA_1
+2gag_1_NAD_0
+4h2f_1_ADN_0
+2g7c_1_NAG GAL GLA_1
+6ur1_2_AT3_0
+3s5x_1_BMA MAN MAN MAN MAN_0
+4osy_1_GLY_3
+4qo5_1_NAG_2
+6pa6_2_ASN_0
+3uni_1_SAL_0
+2wab_1_BGC BGC BGC BGC BGC_0
+3sr6_1_MTE_1
+3ad7_1_NAD_0
+2v7v_1_5FD_0
+3it6_1_ORN_1
+5k66_1_ASN GLU_0
+6a72_1_9UX_0
+2vdf_1_OCT_0
+4idk_1_1FE_0
+2v7w_1_5FD_0
+3k8m_1_GLC GLC AC1_0
+1qaw_1_TRP_7
+3zec_1_ANP_0
+5ida_1_BMA_0
+5f2t_1_PLM_0
+3eca_1_ASP_3
+2gag_1_FOA_0
+6jls_1_FMN_6
+3gf4_1_FAD_1
+4rhe_1_FMN_6
+6ea9_1_9BG_0
+6rms_1_AMP_1
+6xb3_3_9BG_1
+1uf8_1_ING_2
+3s6a_1_ANP_0
+5k63_1_ASN GLY_0
+6ryz_1_SAM_2
+2zcz_2_TRP_3
+6v2a_1_ASN_3
+5a98_1_ATP_0
+5hhz_1_ZME_0
+3zzs_1_TRP_3
+5fiu_1_Y3J_3
+3gvl_1_SLB_2
+3ub9_1_NHY_1
+4o0f_1_GLY_3
+5ent_1_MIY_0
+6nco_1_KQP_0
+3o02_2_JN3_0
+5dnc_1_ASN_2
+2x34_2_UQ8_0
+4rpm_1_HXC_0
+4qa8_1_PJZ_0
+5ae3_2_AWB_1
+5gqi_1_ATP_7
+3zjx_1_BOG_0
+3ju4_1_SLB_2
+3nvv_1_MTE_1
+6uqy_2_AT3_0
+4fyw_1_CTP_4
+4fyv_1_DCP_2
+4tvd_1_BGC_4
+3jqm_1_GTP_5
+2vfu_1_MTL_0
+2cdc_1_XYS_5
+1i8t_1_FAD_1
+1o28_1_UFP_2
+3wrb_1_GDE_0
+5fxf_1_BEZ_0
+6yao_1_OJ2_0
+1hg0_1_SIN_1
+5k3o_2_ASP_0
+5k45_2_GLU_1
+1v2g_1_OCA_0
+5k4h_2_GLU_3
+5gql_1_ATP_4
+6yap_1_OHZ_0
+3ada_1_NAD_0
+4uoc_1_NCN_1
+5hqx_1_EDZ_0
+3k8l_1_GLC GLC GLC GLC GLC_0
+3o01_2_DXC_0
+1sbz_1_FMN_3
+3ub7_1_ACM_1
+2o5m_1_MNR_0
+1pj2_1_FUM_0
+3ad9_1_NAD_0
+4phs_1_UDP_0
+4bc9_1_CNV FAD_0
+4pfx_1_UDP_0
+2v7t_1_SAH_4
+2ext_1_TRP_0
+3qrc_2_GU4 YYJ_0
+6fgc_1_D95_1
+6paa_1_ASP_2
+2hk9_1_SKM_0
+2q37_1_3AL_0
+4pya_1_2X3_0
+1o72_2_PC_0
+5enr_1_MBX_0
+2hs3_1_FGR_0
+6pa2_1_ASP_2
+4ydx_1_TCE_0
+1u8u_1_OCA_0
+3se5_1_ANP_2
+5d9g_1_GLU ASN LEU TYR PHE GLN_0
+4zaz_1_4LS_6
+5u82_2_ZN0_0
+1za2_1_CTP_4
+1v97_1_MTE_1
+2xta_1_ACO_0
+6tvg_1_AP2_1
+4mig_1_G3F_2
+5k62_1_ASN VAL_0
+4xfm_1_THE_0
+3he3_5_UDP_0
+4n4l_1_HG1_0
+5f52_1_ASP_2
+4uuw_1_AMP_0
+4b4v_1_L34_0
+6etf_1_AMP_0
+4cnl_1_CHT_1
+4zqx_1_ATP_2
+5ers_1_AMP_1
+4mos_1_GAF_1
+2him_1_ASN_3
+2xrh_1_NIO_1
+2zd0_1_TRP_9
+4oal_2_245_0
+6n19_2_K8V_0
+6a71_1_9UX_0
+1tkg_1_SSA_0
+1sij_1_PCD_0
+4xdr_1_ADN_0
+2gah_1_NAD_0
+1uf5_1_CDT_0
+2v7u_1_SAM_2
+5eno_1_5QG_0
+4u63_1_FAD_0
+5b5s_1_BOG_0
+2ze9_1_PD7_0
+6yaq_1_OHZ_0
+4o0d_1_GLY_3
+5enq_1_5QE_0
+4osx_1_GLY_2
+6qkr_1_FAD_0
+3inr_1_GDU_0
+6npp_1_KWG_0
+4zav_1_4LS_8
+6gbf_1_AMP_0
+4tvd_1_GLC_0
+1tke_1_SER_0
+1rqp_1_SAM_0

data/pdbbind/pdbbind_binding_affinity_data/binding_affinity_values.txt

@@ -0,0 +1,104 @@
+6wjy_2_U41_0
+2bpb_1_MSS_0
+5ynv_2_DST_0
+5i5w_1_68B_0
+6czh_2_38E_0
+6w70_2_GG2_0
+4hdr_1_DMD_0
+1zt9_1_TRP_0
+2v8e_1_GU4 YYJ_0
+6np3_1_LLL_0
+6o70_1_ACK_0
+6mt9_1_ADP_0
+6mt9_1_ATP_1
+2qv7_2_ADP_0
+4i4i_1_PEP_2
+4i7e_1_PEP_3
+5xz7_1_F6P_0
+5xz9_1_ATP_0
+5xza_1_ADP_0
+4gvy_1_CIR_0
+6fh3_1_RPI_0
+1ig3_1_VIB_1
+2bz1_1_TAU_0
+4nwx_1_2PG_0
+5zbl_2_AMP_0
+5h4s_1_RAM_1
+2hnu_2_PHE TYR_1
+2hnv_3_PHE TYR_0
+2byc_2_FMN_0
+3mzi_1_FMN_0
+1pj6_1_FOL_0
+1pj7_1_FFO_0
+1woo_1_THG_0
+3gsi_1_THG_3
+4paa_1_THG_0
+5x1j_2_VNL_0
+5x1k_1_7WR_1
+3qzy_1_FAD_0
+3t58_3_FAD_0
+1dgb_1_NDP_1
+1dgf_1_NDP_0
+1dgg_1_NDP_0
+5zz1_1_3TR_1
+6rjr_1_NDP_2
+4x9x_1_OLA_0
+5woo_2_MYR_0
+2fue_1_M1P_1
+6cfv_1_IMP_0
+2vnh_1_NAP_0
+2vni_1_A2P_0
+3qe2_2_NAP_0
+4y7c_1_NAP_0
+4y9r_2_NAP_0
+4yaf_2_2AM_0
+4yal_2_2AM_0
+4yao_2_2AM_0
+4yau_2_2AM_0
+4yaw_1_2AM_0
+5fa6_1_NAP_0
+6mry_2_I3C_0
+6uw3_1_GDP_0
+6uw5_1_GDP_1
+6uw7_1_QMD_0
+5aqk_1_GDP_0
+4zo7_1_GLC BGC_0
+4zo7_1_BGC_0
+4zoc_1_BGC_1
+2djh_1_3PD UM3_0
+4yvn_1_EBS_0
+5bu3_1_4W9_0
+5k21_1_6QF_2
+4w8c_1_GLY_1
+2zfz_2_ARG_1
+5zdn_1_CDP_0
+1lri_1_CLR_0
+1oj7_1_NZQ_0
+6ha4_1_T3Y_0
+3gqt_4_UFO_0
+3m9v_1_TYD_0
+5mr6_6_FAD_0
+1z2i_1_NAD_0
+2x06_2_NAD_0
+4fju_1_NAI_0
+4h8a_1_NAI_0
+5yx4_1_HCC_0
+3juc_1_PCA_0
+5hwk_2_BEZ_0
+2zux_1_RAM_3
+4mae_1_PQQ_1
+6dam_1_PQQ_0
+6fkw_1_PQQ_1
+1ha3_1_MAU_0
+1iyb_1_5GP_1
+1j1f_1_5GP_0
+1j1g_1_5GP_0
+1v9h_1_U5P_0
+1vd3_1_U2P_0
+3ldj_2_GU4 YYJ_0
+4g0s_2_MYR_1
+6o0w_1_A2P_0
+2dvn_1_IMP_0
+5z1n_1_PEF_0
+3nfd_1_COA_1
+6cib_5_OXM_0